ethyl 2-[[3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(5-bromo-2-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(5-bromo-2-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(5-bromo-2-hydroxy-phenyl)-2-cyano-acryloyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H16BrClN2O4S MolecularWeight: 531.80614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C(=CC3=C(C=CC(=C3)Br)O)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C(=CC3=C(C=CC(=C3)Br)O)C#N

InChI

InChI=1S/C23H16BrClN2O4S/c1-2-31-23(30)20-18(13-3-6-17(25)7-4-13)12-32-22(20)27-21(29)15(11-26)9-14-10-16(24)5-8-19(14)28/h3-10,12,28H,2H2,1H3,(H,27,29)